4-(Trifluoromethoxy)chlorobenzene - CAS 461-81-4
Catalog: |
BB026088 |
Product Name: |
4-(Trifluoromethoxy)chlorobenzene |
CAS: |
461-81-4 |
Synonyms: |
1-chloro-4-(trifluoromethoxy)benzene; 1-chloro-4-(trifluoromethoxy)benzene |
IUPAC Name: | 1-chloro-4-(trifluoromethoxy)benzene |
Description: | 4-(Trifluoromethoxy)chlorobenzene (CAS# 461-81-4) is a useful research chemical. |
Molecular Weight: | 196.55 |
Molecular Formula: | C7H4ClF3O |
Canonical SMILES: | C1=CC(=CC=C1OC(F)(F)F)Cl |
InChI: | InChI=1S/C7H4ClF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
InChI Key: | SELFZOLQRDPBKC-UHFFFAOYSA-N |
Boiling Point: | 142 ℃ |
Density: | 1.36 g/cm3 |
MDL: | MFCD00040953 |
LogP: | 3.23860 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112500313-A | Method for replacing fluorination reaction of halogenated aromatic hydrocarbon | 20201204 |
CN-112159329-A | Co-production preparation method of o-amino trifluoromethoxybenzene and m-amino trifluoromethoxybenzene | 20200912 |
CN-110937983-A | Method for producing trichloromethoxybenzene by using hexafluorobenzene as solvent | 20191227 |
CN-111004095-A | Method for continuously/semi-continuously preparing trichloromethoxybenzene compounds | 20191227 |
US-2021032181-A1 | Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same | 20180227 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.9902769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.9902769 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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